9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine

C49H34N4O — CID 170021344

IUPAC9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)ccc6c45)cc3)nc(-c3cccc4ccccc34)n2)=CCC1
InChIInChI=1S/C49H34N4O/c1-4-15-35(16-5-1)47-50-48(52-49(51-47)42-24-12-17-33-14-10-11-22-40(33)42)36-28-26-34(27-29-36)41-23-13-25-44-46(41)43-31-30-39(32-45(43)54-44)53(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h2-4,6-32H,1,5H2
InChIKeyKNKGBXGGIHNWGJ-UHFFFAOYSA-N
MW694.84 g/mol
LogP13.13
Rot. Bonds7

About 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine

9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine (PubChem CID 170021344) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound Name9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine
PubChem CID170021344
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC Name9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)ccc6c45)cc3)nc(-c3cccc4ccccc34)n2)=CCC1
InChIInChI=1S/C49H34N4O/c1-4-15-35(16-5-1)47-50-48(52-49(51-47)42-24-12-17-33-14-10-11-22-40(33)42)36-28-26-34(27-29-36)41-23-13-25-44-46(41)43-31-30-39(32-45(43)54-44)53(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h2-4,6-32H,1,5H2
InChIKeyKNKGBXGGIHNWGJ-UHFFFAOYSA-N
XLogP13.13
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine with MolForge

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Related Compounds

9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 170020737
2-cyclohexa-1,5-dien-1-yl-4-[4-(7-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167184344
7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095099
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853971
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 169280951
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170144747
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine?
The IUPAC name of 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine (CID 170021344) is 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine.
What is the SMILES notation for 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine?
The canonical SMILES for 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine is C1=CC(c2nc(-c3ccc(-c4cccc5oc6cc(N(c7ccccc7)c7ccccc7)ccc6c45)cc3)nc(-c3cccc4ccccc34)n2)=CCC1.
What is the InChIKey of 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine?
The InChIKey is KNKGBXGGIHNWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-4-15-35(16-5-1)47-50-48(52-49(51-47)42-24-12-17-33-14-10-11-22-40(33)42)36-28-26-34(27-29-36)41-23-13-25-44-46(41)43-31-30-39(32-45(43)54-44)53(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h2-4,6-32H,1,5H2.
What are the key properties of 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine?
9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine has a molecular weight of 694.84 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-cyclohexa-1,5-dien-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 170021344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).